2-(6-methylsulfanylpurin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-methylsulfanylpurin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-methylsulfanylpurin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[6-(methylthio)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(6-methylsulfanylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-[6-(methylthio)purin-9-yl]ethoxymethylphosphonic acid Formula: C9H13N4O4PS MolecularWeight: 304.262681

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C9H13N4O4PS/c1-19-9-7-8(10-4-11-9)13(5-12-7)2-3-17-6-18(14,15)16/h4-5H,2-3,6H2,1H3,(H2,14,15,16)